MMsINC Database Search


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MMsINC code: MMs02615315

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O(Cc1ccccc1)CC(=O)N(C1CC1)C1CCN(CC1)C(=O)C

InChI:

InChI=1/C19H26N2O3/c1-15(22)20-11-9-18(10-12-20)21(17-7-8-17)19(23)14-24-13-16-5-3-2-4-6-16/h2-6,17-18H,7-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3109 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -2.74636	SlogP: 2.4715	Reactive groups: 0

Topological Properties
Globularity: 0.0976841	Sterimol/B1: 2.27026	Sterimol/B2: 2.8968	Sterimol/B3: 4.62928
Sterimol/B4: 9.83507	Sterimol/L: 15.5207

Surface and Volume Properties
Accessible surface: 623.588	Positive charged surface: 413.806	Negative charged surface: 209.782	Volume: 339
Hydrophobic surface: 514.507	Hydrophilic surface: 109.081

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.